0 B21R2.362231 NC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O S102288 [0,0,0,0,0,0|1,0,2]=3 1 B21R2.362231 O=C(COC1=CC=C(C=C1)F)C2=C(C=C(C=C2O)O)O R294152 [0,0,0,0,0,0|2,0,1]=3 2 B20R2.15570 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2C)C S584150 [1,0,0,0,0,0|3,0,0]=4 3 B20R2.15570 O=C(COC1=CC=C(C=C1)Cl)C2=C(C=C(C=C2)O)O OTV000159 [1,0,0,0,0,0|2,0,1]=4 4 B20R2.23087 CC1=CC(=C(C(=C1)C)C(=O)/C=C/C2=CC=CC=C2)C S706973 [1,0,0,0,0,0|3,0,0]=4 5 B20R2.23087 CC1=CC(=C(C(=O)O1)C(=O)/C=C/C2=CC=CC=C2)O S943525 [1,0,0,0,0,0|2,0,1]=4 6 B20R2.239988 O=C(CC1=CC=C(C=C1)Br)C2=C(C=C(C=C2O)O)O L251232 [0,0,0,0,1,0|1,0,1]=3 7 B20R2.239988 O=C(CC1=CC=C(C=C1)Cl)C2=C(C=C(C=C2O)O)O L251216 [0,0,0,0,1,0|1,0,1]=3 8 B20R2.239988 O=C(CC1=CC=C(C=C1)F)C2=C(C=C(C=C2O)O)O L251224 [0,0,0,0,1,0|1,0,1]=3 9 B19R2.4531 CC1=CC=C(C(=C1)C)C(=O)/C=C/C2=CC=CC=C2 S839930 [2,0,0,0,0,0|2,0,0]=4 10 B19R2.4531 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2O)O S288306 [2,0,0,0,0,0|0,0,0]=2 11 B19R2.11870 CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br S538736 [2,0,0,0,0,0|2,0,0]=4 12 B19R2.11870 CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl S525723 [2,0,0,0,0,0|2,0,0]=4 13 B19R2.11870 O=C(/C=C/C1=CC=C(C=C1)Br)C2=CC=C(C=C2)Cl S261084 [2,0,0,0,0,0|2,0,0]=4 14 B19R2.11870 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Br S643785 [2,0,0,0,0,0|2,0,0]=4 15 B19R2.11870 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl R614157 [2,0,0,0,0,0|2,0,0]=4 16 B19R2.11870 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl S542911 [2,0,0,0,0,0|2,0,0]=4 17 B19R2.11870 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)F IDF00071 [2,0,0,0,0,0|2,0,0]=4 18 B19R2.11870 O=C(C=CC1=CC=C(C=C1)O)C2=CC=[N+](C=C2)[O-] S218200 [2,0,0,0,0,0|1,0,1]=4 19 B19R2.12083 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O IDF00042 [2,0,0,0,0,0|1,0,0]=3 20 B19R2.12083 O=C(/C=C/C1=CC=C(C=C1)Br)C2=CC=CC=C2O S573817 [2,0,0,0,0,0|1,0,0]=3 21 B19R2.12083 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=CC=C2Cl S681091 [2,0,0,0,0,0|2,0,0]=4 22 B19R2.12083 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC=CC=C2O IDF00066 [2,0,0,0,0,0|1,0,0]=3 23 B19R2.12083 O=C(/C=C/C1=CC=C(C=C1)O)C2=C(C=CC=C2)O PH011685 [2,0,0,0,0,0|0,0,0]=2 24 B21R2.6385 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2C)O IDF00079 [1,1,0,0,0,0|1,0,0]=3 25 B21R2.6385 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2O)O IDF00081 [1,1,0,0,0,0|0,0,0]=2 26 B21R2.6385 COC1=CC=C(C=C1)OCC(=O)C2=CC=C(C=C2O)O OTV000184 [1,1,0,0,0,0|1,0,1]=4 27 B21R2.784816 CC1=CC(=C(C=C1Cl)C(=O)/C=C/C2=CC=C(C=C2)Cl)O IDF00140 [1,1,0,0,0,0|2,0,0]=4 28 B21R2.125542 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O S373575 [0,1,0,0,1,0|0,0,1]=3 29 B21R2.4623548 O=C(CC1=CC=C(C=C1Cl)Cl)C2=C(C=C(C=C2O)O)O L251240 [0,1,0,0,1,0|1,0,1]=4 30 B23R2.594514 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)C)O IDF00121 [0,2,0,0,0,0|1,0,0]=3 31 B23R2.594514 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)F)O IDF00130 [0,2,0,0,0,0|1,0,0]=3 32 B23R3.199765921 COC1=CC(=C2C(=O)C=C(OC2=C1)C3=CC=C(C=C3)O)O CDS000934 [0,1,0,1,0,0|0,0,0]=2 33 B19R2.12255 CC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O JRD1390 [1,0,0,0,1,0|1,0,1]=4 34 B19R2.12255 O=C(CC1=CC=C(C=C1)Br)C2=C(C=C(C=C2)O)O L251119 [1,0,0,0,1,0|1,0,1]=4 35 B19R2.12255 O=C(CC1=CC=C(C=C1)F)C2=C(C=C(C=C2)O)O R724521 [1,0,0,0,1,0|1,0,1]=4 36 B19R2.12255 O=C(CC1=CC=C(C=C1)O)C2=CC=C(C=C2O)O OTV000030 [1,0,0,0,1,0|0,0,1]=3 37 B21R2.358849 CC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O L488968 [1,0,0,0,0,1|2,0,0]=4 38 B21R2.358849 O=C(N/N=C/C1=CC=C(C=C1)Cl)C2=C(C=C(C=C2)O)O T122475 [1,0,0,0,0,1|2,0,0]=4 39 B21R2.358849 O=C(N/N=C/C1=CC=C(C=C1)F)C2=C(C=C(C=C2)O)O L491837 [1,0,0,0,0,1|2,0,0]=4 40 B18R2.253 CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 S681237 [3,0,0,0,0,0|1,0,0]=4 41 B18R2.253 NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 R507385 [3,0,0,0,0,0|1,0,0]=4 42 B18R2.253 O=C(/C=C/C1=CC=CC=C1)C2=CC=C(C=C2)Cl S506966 [3,0,0,0,0,0|1,0,0]=4 43 B18R2.253 O=C(/C=C/C1=CC=CC=C1)C2=CC=C(C=C2)O CDS003892 [3,0,0,0,0,0|0,0,0]=3 44 B18R2.253 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)Br S455393 [3,0,0,0,0,0|1,0,0]=4 45 B18R2.253 O=C(C=CC1=CC=CC=C1)C2=CC=C(C=C2)F S433985 [3,0,0,0,0,0|1,0,0]=4 46 B18R2.253 O=C(C=CC1=CN=CC=C1)C2=CC=C(C=C2)O S218030 [3,0,0,0,0,0|1,0,0]=4 47 B18R2.4001 CC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2 S683078 [3,0,0,0,0,0|1,0,0]=4 48 B18R2.4001 O=C(/C=C/C1=CC=CC=C1)C2=CC=CC=C2O S449725 [3,0,0,0,0,0|0,0,0]=3 49 B18R2.257 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 R610607 [3,0,0,0,0,0|1,0,0]=4 50 B18R2.257 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 S680230 [3,0,0,0,0,0|1,0,0]=4 51 B18R2.257 O=C(/C=C/C1=CC=C(C=C1)Br)C2=CC=CC=C2 R247650 [3,0,0,0,0,0|1,0,0]=4 52 B18R2.257 O=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2 S350664 [3,0,0,0,0,0|0,0,0]=3 53 B18R2.257 O=C(C=CC1=CC=C(C=C1)O)C2=CC=NC=C2 S218014 [3,0,0,0,0,0|1,0,0]=4 54 B18R2.257 O=C(C=CC1=CC=C(C=C1)O)C2=CN=CC=C2 S218022 [3,0,0,0,0,0|1,0,0]=4 55 B20R2.3743 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O IDF00057 [2,1,0,0,0,0|0,0,0]=3 56 B20R2.75884 O=C(/C=C/C1=C(C=CC=C1)O)C2=C(C=C(C=C2)O)O IDF00061 [2,1,0,0,0,0|0,0,0]=3 57 B20R2.155623 CC1=CC(=C(C=C1Cl)C(=O)/C=C/C2=CC=CC=C2)O IDF00088 [2,1,0,0,0,0|1,0,0]=4 58 B20R2.48 COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl S670006 [2,1,0,0,0,0|1,0,0]=4 59 B20R2.5453 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl S547662 [2,1,0,0,0,0|1,0,0]=4 60 B20R2.5453 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O S670014 [2,1,0,0,0,0|0,0,0]=3 61 B20R2.5453 COC1=CC=C(C=C1)/C=C\C(=O)C2=CC=C(C=C2)C S680397 [2,1,0,0,0,0|1,0,0]=4 62 B20R2.5453 COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C S511021 [2,1,0,0,0,0|1,0,0]=4 63 B20R2.5453 COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)F S433993 [2,1,0,0,0,0|1,0,0]=4 64 B20R2.5736 COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O S572675 [2,1,0,0,0,0|0,0,0]=3 65 B20R2.15574 CC1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)O R682756 [2,1,0,0,0,0|1,0,0]=4 66 B20R2.15574 CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)F)O IDF00062 [2,1,0,0,0,0|1,0,0]=4 67 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)Cl)O IDF00117 [2,1,0,0,0,0|1,0,0]=4 68 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)Cl)C2=CC(=CC=C2O)F R656992 [2,1,0,0,0,0|1,0,0]=4 69 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2O)Br R656976 [2,1,0,0,0,0|1,0,0]=4 70 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)F)C2=CC(=CC=C2O)Cl R656984 [2,1,0,0,0,0|1,0,0]=4 71 B20R2.15574 O=C(/C=C/C1=CC=C(C=C1)O)C2=C(C=CC(=C2)O)O IDF00060 [2,1,0,0,0,0|0,0,0]=3 72 B20R2.15585 CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC(=C2O)Cl IDF00087 [2,1,0,0,0,0|1,0,0]=4 73 B20R2.15585 O=C(/C=C/C1=CC=C(C=C1)F)C2=CC=CC(=C2O)Cl IDF00093 [2,1,0,0,0,0|1,0,0]=4 74 B20R2.5499 COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O L251100 [1,1,0,0,1,0|0,0,1]=4 75 B20R2.638661 O=C(CC1=CC(=CC=C1)Cl)C2=C(C=C(C=C2O)O)O IDF00094 [1,1,0,0,1,0|0,0,1]=4 76 B20R2.241136 O=C(C1=CC(=C(C=C1)O)O)C2=C(C=C(C=C2O)O)O S409057 [0,1,0,0,2,0|0,0,0]=3 77 B22R2.7368 COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=C(C=C2)O)O L484474 [1,1,0,0,0,1|1,0,0]=4 78 B22R2.37061 O=C(COC(=O)C1=CC=CC=C1)C2=C(C=C(C=C2O)O)O S884030 [1,1,0,0,0,1|0,0,1]=4 79 B22R2.6907 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O IDF00106 [1,2,0,0,0,0|0,0,0]=3 80 B22R2.4358129 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C(=C2)Cl)C)O IDF00136 [1,2,0,0,0,0|1,0,0]=4 81 B22R2.177007 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC=C2OC)O IDF00107 [1,2,0,0,0,0|0,0,0]=3 82 B22R2.662454 COC1=CC=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)Cl)OC IDF00134 [1,2,0,0,0,0|1,0,0]=4 83 B22R2.662454 COC1=CC=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)F)OC IDF00111 [1,2,0,0,0,0|1,0,0]=4 84 B24R2.778073 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)C)OC IDF00144 [0,3,0,0,0,0|1,0,0]=4 85 B24R2.778073 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)Cl)OC R665096 [0,3,0,0,0,0|1,0,0]=4 86 B24R2.778073 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)F)OC IDF00160 [0,3,0,0,0,0|1,0,0]=4 87 B24R2.778073 COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)OC IDF00152 [0,3,0,0,0,0|0,0,0]=3 88 B22R3.18107773 COC1=CC=C2C(=O)C=C(OC2=C1)C3=CC=C(C=C3)O CDS007223 [1,1,0,1,0,0|0,0,0]=3 89 B24R3.558339597 O=C1C(=C(OC2=C1C(=CC(=C2)O)O)C3=C(C=C(C=C3)O)O)O TMT00351 [0,2,0,1,0,0|0,0,0]=3 90 B18R2.9218 O=C(NC1=CC=C(C=C1)O)C2=CC=CC=C2O S408921 [2,0,0,0,1,0|1,0,0]=4 91 B20R2.75750 CC1=CC=C(C(=C1)O)NC(=O)/C=C/C2=CC=CC=C2 R645125 [2,0,0,0,0,1|1,0,0]=4 92 B20R2.155984 O=C(N/N=C/C1=CC=CC=C1)C2=C(C=C(C=C2)O)O L483761 [2,0,0,0,0,1|1,0,0]=4 93 B20R2.15224 O=C(N/N=C/C1=CC=C(C=C1)O)C2=CC=C(C=C2)O R697354 [2,0,0,0,0,1|1,0,0]=4 94 B20R2.235908 O=C(N/N=C/C1=CC=C(C=C1)O)C2=CC=CC=C2O S14398 [2,0,0,0,0,1|1,0,0]=4